3-{2-[2-(2-allylphenoxy)ethoxy]-5-bromophenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{2-[2-(2-allylphenoxy)ethoxy]-5-bromophenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{2-[2-(2-allylphenoxy)ethoxy]-5-bromophenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5258 |
| Compound Name: | 3-{2-[2-(2-allylphenoxy)ethoxy]-5-bromophenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 539.45 |
| Molecular Formula: | C25 H23 Br N4 O3 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(ccc2OCCOc2ccccc2CC=C)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.58 |
| logD: | 4.95 |
| logSw: | -7.4 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.23 |
| InChI Key: | CIFLQOHQUPGOGW-UHFFFAOYSA-N |